SCHEMBL5456918

SCHEMBL5456918

CC(C)(C)c1ccc(C(=O)OCCOC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
ESR1 P03372 2/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A2 P23975 1/20 0.52
KDR P35968 1/20 0.52
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
LMNA P02545 4/20 0.50
MAPK1 P28482 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SRD5A2 P31213 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ethylene Glycol SCHEMBL21074267 0.94 CA1 (0.48) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL12376587 0.93 MAPT (0.52) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL14984037 0.92 TDP1 (0.58) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL21074268 0.91 CA1 (0.48) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL21672265 0.91 ALDH1A1 (0.66) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL20061726 0.89 TNF (0.48) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL12251325 0.88 ESR1 (0.68) HDAC1TDP1ALDH1A1TSHRESR1
SCHEMBL10994401 0.87 CA1 (0.46) HDAC1TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL571045 0.86 CA12 (0.63) TDP1ALDH1A1ESR1MAPTCA1
SCHEMBL11290956 0.86 PHLPP2 (0.67) ALDH1A1TSHRMAPTCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293600-A1 Polycarbonate resin composition and medical appliances comprising thereof MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2007-12-20 US disclosed
EP-1829927-A1 POLYCARBONATE RESIN COMPOSITION AND MEDICAL INSTRUMENT COMPRISING THE SAME Mitsubishi Engineering-Plastics Corporation (JP) 2007-09-05 EP disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed